2-Dodecenal, (E)-
- Formula: C12H22O
- Molecular weight: 182.3025
- IUPAC Standard InChI: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
- IUPAC Standard InChIKey: SSNZFFBDIMUILS-ZHACJKMWSA-N
- CAS Registry Number: 20407-84-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Stereoisomers:
- Other names: (E)-2-Dodecen-1-al; (2E)-2-Dodecenal; 2(E)-Dodecenal; (E)-2-Dodecenal; (E)-Dodec-2-enal; trans-2-Dodecenal; trans-Dodec-2-enal; (E)-dodec-2-en-1-al
- Information on this page:
- Other data available:
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Gas Chromatography
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1472. | Tayoub, Schwob, et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
| Capillary | DB-1 | 1439. | Smallfield, Perry, et al., 1994 | H2, 5. K/min; Column length: 9.5 m; Tstart: 50. C; Tend: 260. C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1860. | Smallfield, Perry, et al., 1994 | H2, 5. K/min; Column length: 30. m; Tstart: 50. C; Tend: 260. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1471. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | MDN-5 | 1464. | Dugo, Mondello, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | SPB-1 | 1442. | Chisholm, Jell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | SPB-1 | 1442. | Chisholm, Jell, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | DB-5 | 1462. | Choi, 2003 | 30. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-5 | 1462. | Choi, Kim. M.-S.L., et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 70. C @ 2. min, 4. K/min, 230. C @ 20. min |
| Capillary | DB-5 | 1466. | Marques, McElfresh, et al., 2000 | 30. m/0.25 mm/0.25 μm, 100. C @ 1. min, 5. K/min, 275. C @ 3. min |
| Capillary | HP-5 | 1452. | Song, Sawamura, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C |
| Capillary | Mega 5MS | 1458. | Verzera, Trozzi, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-1 | 1448. | Specht and Baltes, 1994 | 60. m/0.25 mm/0.25 μm, 35. C @ 10. min, 2. K/min, 280. C @ 10. min |
| Capillary | OV-101 | 1444. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1445. | Yang, Sugisawa, et al., 1992 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1467.5 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1835. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm |
| Capillary | Innowax | 1866. | Chisholm, Jell, et al., 2003 | 15. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 20. min |
| Capillary | DB-Wax | 1872. | Choi, 2003 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1851. | Choi, Kim. M.-S.L., et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min, 230. C @ 20. min; Tstart: 70. C |
| Capillary | DB-Wax | 1867. | Choi and Sawamura, 2000 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1844. | Marques, McElfresh, et al., 2000 | 30. m/0.32 mm/0.25 μm, 100. C @ 1. min, 5. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1468. | Morteza-Semnani, Saeedi, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-5 | 1460. | Choi, 2006 | 30. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | OV-101 | 1445. | Yang, 2001 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1444. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1445. | Tamura, Yang, et al., 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1445. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1482. | Dharmawan, Kasapis, et al., 2009 | 60. m/0.32 mm/1.0 μm, Helium; Program: 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min) |
| Capillary | CP Sil 8 CB | 1466. | Mockute, Bernotiene, et al., 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min) |
| Capillary | SE-54 | 1468. | Buettner, Mestres, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) |
| Capillary | OV-101 | 1444. | Yang, 2001 | N2; Column length: 50. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1871. | Choi, 2006 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | Supelcowax-10 | 1889. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | Supelcowax-10 | 1889. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | Supelcowax-10 | 1901. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
| Capillary | DB-Wax | 1865. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1867. | Choi, 2004, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1867. | Tu, Thanh, et al., 2002 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min; Tstart: 70. C; Tend: 230. C |
| Capillary | DB-Wax | 1887. | Chung, Eiserich, et al., 1993 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax FSC | 1849. | Kosar, Özek, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | FFAP | 1838. | Buettner, Mestres, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008
. [all data]
Smallfield, Perry, et al., 1994
Smallfield, B.M.; Perry, N.B.; Beauregard, D.A.; Foster, L.M.; Dodds, K.G.,
Effects of postharvest treatments on yield and composition of coriander herb oil,
J. Agric. Food Chem., 1994, 42, 2, 354-359, https://doi.org/10.1021/jf00038a023
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Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T.,
Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream,
J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545
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Dugo, Mondello, et al., 2005
Dugo, P.; Mondello, L.; Favoino, O.; Cicero, L.; Rodriguez Zenteno, N.A.; Dugo, G.,
Characterization of cold-pressed Mexican dancy tangerine oils,
Flavour Fragr. J., 2005, 20, 1, 60-66, https://doi.org/10.1002/ffj.1367
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Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188
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Choi, 2003
Choi, H.-S.,
Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
J. Agric. Food Chem., 2003, 51, 9, 2687-2692, https://doi.org/10.1021/jf021069o
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Choi, Kim. M.-S.L., et al., 2002
Choi, H.-S.; Kim. M.-S.L.; Sawamura, M.,
Constituents of the essential oil of cnidium officinale Makino, a Korean medicinal plant,
Flavour Fragr. J., 2002, 17, 1, 49-53, https://doi.org/10.1002/ffj.1038
. [all data]
Marques, McElfresh, et al., 2000
Marques, F.A.; McElfresh, J.S.; Millar, J.G.,
Kováts retention indexes of monounsaturated C12, C14, and C16 alcohols, acetates and aldehydes commonly found in lepidopteran pheromone blends,
J. Braz. Chem. Soc., 2000, 11, 6, 592-599, https://doi.org/10.1590/S0103-50532000000600007
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Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H.,
Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil,
Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V
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Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E.,
Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils,
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Specht and Baltes, 1994
Specht, K.; Baltes, W.,
Identification of volatile flavor compounds with high aroma values from shallow-fried beef,
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Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
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Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Choi and Sawamura, 2000
Choi, H.-S.; Sawamura, M.,
Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu),
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Morteza-Semnani, Saeedi, et al., 2007
Morteza-Semnani, K.; Saeedi, M.; Akbarzadeh, M.,
Essential oil composition of Teucrium scordium L.,
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Choi, 2006
Choi, H.-S.,
Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb,
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Yang, R.,
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Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H.,
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Dharmawan, Kasapis, et al., 2009
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Mockute, Bernotiene, et al., 2006
Mockute, D.; Bernotiene, G.; Judzentiene, A.,
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Buettner, Mestres, et al., 2003
Buettner, A.; Mestres, M.; Fischer, A.; Guasch, J.; Schieberle, P.,
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
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Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
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Choi, 2004, 2
Choi, H.-S.,
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Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M.,
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Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
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Kosar, Özek, et al., 2005
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Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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